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Issue 32, 2011
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The electrostatic probe: a tool for the investigation of the Aβ(1–16) peptide deformations using the static modes

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Abstract

We investigate the conformational changes of the Amyloid β(1–16) peptide induced by moving Zn2+ ions in the solvent, which we call the electrostatic probe. We use our recently developed approach of static modes which allows treating the flexibility of biological molecules at the atomic scale. Starting from an experimental apostructure, we find that several ion impacts allow the transition of the peptide toward its folded conformation, observed experimentally in the presence of Zn2+ ions. This result shows the ability of our model and its associated software tool to describe properly the conformational changes and opens a new path toward the molecule/molecule docking problem.

Graphical abstract: The electrostatic probe: a tool for the investigation of the Aβ(1–16) peptide deformations using the static modes

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Article information


Submitted
03 Mar 2011
Accepted
02 Jun 2011
First published
11 Jul 2011

Phys. Chem. Chem. Phys., 2011,13, 14611-14616
Article type
Paper

The electrostatic probe: a tool for the investigation of the Aβ(1–16) peptide deformations using the static modes

G. Renvez, A. Estève, G. Landa, M. Brut, M. Djafari-Rouhani and A. Dkhissi, Phys. Chem. Chem. Phys., 2011, 13, 14611
DOI: 10.1039/C1CP20603F

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